N-propan-2-ylethanesulfonamide

C5H13NO2S — CID 4177239

IUPACN-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C
InChIInChI=1S/C5H13NO2S/c1-4-9(7,8)6-5(2)3/h5-6H,4H2,1-3H3
InChIKeyQKYMUUKIEKQBFW-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.33
Rot. Bonds3

About N-propan-2-ylethanesulfonamide

N-propan-2-ylethanesulfonamide (PubChem CID 4177239) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-propan-2-ylethanesulfonamide
PubChem CID4177239
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C
InChIInChI=1S/C5H13NO2S/c1-4-9(7,8)6-5(2)3/h5-6H,4H2,1-3H3
InChIKeyQKYMUUKIEKQBFW-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylethanesulfonamide?
The IUPAC name of N-propan-2-ylethanesulfonamide (CID 4177239) is N-propan-2-ylethanesulfonamide.
What is the SMILES notation for N-propan-2-ylethanesulfonamide?
The canonical SMILES for N-propan-2-ylethanesulfonamide is CCS(=O)(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylethanesulfonamide?
The InChIKey is QKYMUUKIEKQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-4-9(7,8)6-5(2)3/h5-6H,4H2,1-3H3.
What are the key properties of N-propan-2-ylethanesulfonamide?
N-propan-2-ylethanesulfonamide has a molecular weight of 151.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 4177239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).